General Information of the Compound
| Compound ID |
CP0477847
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| Compound Name |
US8772323, 76
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| Structure |
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| Formula |
C27H25N3O2
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| Molecular Weight |
423.516
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(CCc2ccccc2)cc1
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| InChI |
InChI=1S/C27H25N3O2/c1-2-20-17-25(31)29-30-26(20)22-14-15-23-24(16-22)32-27(28-23)21-12-10-19(11-13-21)9-8-18-6-4-3-5-7-18/h3-7,10-16,20H,2,8-9,17H2,1H3,(H,29,31)
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| InChIKey |
JBEQJHRQEDMFEG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound